ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate

C12H19N3O5 — CID 11507493

IUPACethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O5/c1-5-18-10(16)9-14-8(20-15-9)6-7-13-11(17)19-12(2,3)4/h5-7H2,1-4H3,(H,13,17)
InChIKeyNTZDWJCUXYYFLH-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.31
Rot. Bonds5

About ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 11507493) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID11507493
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Nameethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O5/c1-5-18-10(16)9-14-8(20-15-9)6-7-13-11(17)19-12(2,3)4/h5-7H2,1-4H3,(H,13,17)
InChIKeyNTZDWJCUXYYFLH-UHFFFAOYSA-N
XLogP1.31
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate (CID 11507493) is ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(CCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is NTZDWJCUXYYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-5-18-10(16)9-14-8(20-15-9)6-7-13-11(17)19-12(2,3)4/h5-7H2,1-4H3,(H,13,17).
What are the key properties of ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 11507493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).